2-[2-(1-methylpyrazol-4-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine

C13H15N5S — CID 63818050

IUPAC2-[2-(1-methylpyrazol-4-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine
SMILESCn1cc(Sc2nc3ccccn3c2CCN)cn1
InChIInChI=1S/C13H15N5S/c1-17-9-10(8-15-17)19-13-11(5-6-14)18-7-3-2-4-12(18)16-13/h2-4,7-9H,5-6,14H2,1H3
InChIKeyXJBISFUIMDCEBM-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.72
Rot. Bonds4

About 2-[2-(1-methylpyrazol-4-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine

2-[2-(1-methylpyrazol-4-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine (PubChem CID 63818050) has the molecular formula C13H15N5S and a molecular weight of 273.37 g/mol. Its IUPAC name is 2-[2-(1-methylpyrazol-4-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(1-methylpyrazol-4-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine
PubChem CID63818050
Molecular FormulaC13H15N5S
Molecular Weight273.37 g/mol
Exact Mass273.10
IUPAC Name2-[2-(1-methylpyrazol-4-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine
SMILESCn1cc(Sc2nc3ccccn3c2CCN)cn1
InChIInChI=1S/C13H15N5S/c1-17-9-10(8-15-17)19-13-11(5-6-14)18-7-3-2-4-12(18)16-13/h2-4,7-9H,5-6,14H2,1H3
InChIKeyXJBISFUIMDCEBM-UHFFFAOYSA-N
XLogP1.72
TPSA61.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrazol-4-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine?
The IUPAC name of 2-[2-(1-methylpyrazol-4-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine (CID 63818050) is 2-[2-(1-methylpyrazol-4-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine.
What is the SMILES notation for 2-[2-(1-methylpyrazol-4-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine?
The canonical SMILES for 2-[2-(1-methylpyrazol-4-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine is Cn1cc(Sc2nc3ccccn3c2CCN)cn1.
What is the InChIKey of 2-[2-(1-methylpyrazol-4-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine?
The InChIKey is XJBISFUIMDCEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-17-9-10(8-15-17)19-13-11(5-6-14)18-7-3-2-4-12(18)16-13/h2-4,7-9H,5-6,14H2,1H3.
What are the key properties of 2-[2-(1-methylpyrazol-4-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine?
2-[2-(1-methylpyrazol-4-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine has a molecular weight of 273.37 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpyrazol-4-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine is sourced from PubChem (CID 63818050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).